Reaction Details Report a problem with these data
Target
Fatty acid synthase [2202-2509]
Ligand
BDBM24569
Substrate
BDBM24568
Meas. Tech.
Fluorogenic Assay for Detection of FASTE Inhibition
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
790±120 nM
Citation
Richardson, RD; Ma, G; Oyola, Y; Zancanella, M; Knowles, LM; Cieplak, P; Romo, D; Smith, JW Synthesis of novel beta-lactone inhibitors of fatty acid synthase. J Med Chem 51:5285-96 (2008) [PubMed] Article
Target
Name:
Fatty acid synthase [2202-2509]
Synonyms:
FAS | FASN | FAS_HUMAN | Fatty Acid Synthase
Type:
Thioesterase domain
Mol. Mass.:
33927.11
Organism:
Homo sapiens (Human)
Description:
The recombinant thioesterase domain (residues 2202-2509) of FAS was cloned and expressed in Escheria coli. The thioesterase was purified by Ni-affinity chromatography, and analyzed for activity and inhibition by Orlistat.
Residue:
308
Sequence:
CPTPKEDGLAQQQTQLNLRSLLVNPEGPTLMRLNSVQSSERPLFLVHPIEGSTTVFHSLASRLSIPTYGLQCTRAAPLDSIHSLAAYYIDCIRQVQPEGPYRVAGYSYGACVAFEMCSQLQAQQSPAPTHNSLFLFDGSPTYVLAYTQSYRAKLTPGCEAEAETEAICFFVQQFTDMEHNRVLEALLPLKGLEERVAAAVDLIIKSHQGLDRQELSFAARSFYYKLRAAEQYTPKAKYHGNVMLLRAKTGGAYGEDLGADYNLSQVCDGKVSVHVIEGDHRTLLEGSGLESIISIIHSSLAEPRVSVR
Inhibitor
Name:
BDBM24569
Synonyms:
(1R)-1-{[(2S,3S)-3-ethyl-4-oxooxetan-2-yl]methyl}dodecyl N-formylglycinate | (2S)-1-[(2S,3S)-3-ethyl-4-oxooxetan-2-yl]tridecan-2-yl 2-formamidoacetate | Orlistat derivative, 15f | Orlistat derivative, 17a
Type:
Small organic molecule
Emp. Form.:
C21H37NO5
Mol. Mass.:
383.5222
SMILES:
CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CC)OC(=O)CNC=O |r|